(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

C14H23N3 — CID 126756997

IUPAC(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CC(N3CCCC3)CN12
InChIInChI=1S/C14H23N3/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16-6-4-5-7-16/h11,13H,4-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyLYADBBZOFMGLBQ-AMGKYWFPSA-N
MW233.36 g/mol
LogP2.25
Rot. Bonds1

About (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine

(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (PubChem CID 126756997) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.

Molecular Properties

Compound Name(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
PubChem CID126756997
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine
SMILESCC1=N[C@@H](C)C(C)=C2CC(N3CCCC3)CN12
InChIInChI=1S/C14H23N3/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16-6-4-5-7-16/h11,13H,4-9H2,1-3H3/t11-,13?/m0/s1
InChIKeyLYADBBZOFMGLBQ-AMGKYWFPSA-N
XLogP2.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
CID 130219048
2-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]acetonitrile
CID 130218698
N-(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)cyclopentanesulfonamide
CID 130218348
N-methyl-N-[(3S,6S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]cyclopropanesulfonamide
CID 126756564
1-[(3S)-1,4-ditert-butyl-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]azetidine-3-carboxylic acid
CID 130208968
5-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-4-amine
CID 83265929
(3S)-4-tert-butyl-3-methyl-1-propan-2-yl-5,6,7,8-tetrahydro-3H-pyrido[1,2-c]pyrimidine
CID 130218786
1-cyclopropylpiperidine
CID 10909573
3-pyrrolidin-1-ylazetidin-1-amine
CID 166927124
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-amine
CID 80798047
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1-(1-ethylazetidin-3-yl)piperidine
CID 69087799

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The IUPAC name of (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine (CID 126756997) is (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine.
What is the SMILES notation for (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The canonical SMILES for (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is CC1=N[C@@H](C)C(C)=C2CC(N3CCCC3)CN12.
What is the InChIKey of (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
The InChIKey is LYADBBZOFMGLBQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-11(2)15-12(3)17-9-13(8-14(10)17)16-6-4-5-7-16/h11,13H,4-9H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine?
(3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine has a molecular weight of 233.36 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3,4-trimethyl-6-pyrrolidin-1-yl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine is sourced from PubChem (CID 126756997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).